N-[(1S,5R)-9-(2-oxidanylidene-2-phenylazanyl-ethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide

Systemtic Name: N-[(1S,5R)-9-(2-oxidanylidene-2-phenylazanyl-ethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide Openeye Name: N-[(1S,5R)-9-(2-anilino-2-oxo-ethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide CAS Name: N-[(1S,5R)-9-(2-anilino-2-oxoethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide IUPAC Name: N-[(1S,5R)-9-(2-anilino-2-oxoethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide Traditional Name: N-[(1S,5R)-9-(2-anilino-2-keto-ethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)[NH+]2CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]2CC(C[C@H](C1)[NH+]2CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,27)(H,25,28)/p+1/t19?,20-,21+